Galaxolidone

Synonyms: Galaxolidone, "4,6,6,7,8,8-hexamethyl-4,6,7,8-tetrahydrocyclopenta[g]isochromen-1(3H)-one", "1,3,4,6,7,8-hexahydro-4,6,6,7,8,8-hexamethylcyclopenta[g]-2-benzopyrane-1-one".

Source: Galaxolidone, is a metabolite of galaxolide, a polycyclic musk widely used as a fragrance in personal care and consumer products including cosmetics, cleaning agents, detergents, air fresheners and perfumes.

Identifiers:

IUPAC Name: 4,6,6,7,8,8-hexamethyl-4,7-dihydro-3H-cyclopenta[g]isochromen-1-one
CAS Number: 256393-37-0
PubChem ID: 69131857
InChiKey: PGMHPYRIXBRRQD-UHFFFAOYSA-N
Canonical SMILES: CC1COC(=O)C2=CC3=C(C=C12)C(C(C3(C)C)C)(C)C

Structural Properties:

Molecular Formula: C₁₈H₂₄O₂
Molecular Weight: 272.4

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 2
Number of atoms different from hydrogen: 20

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Evidence Supporting This Chemical as an Emerging Contaminant

Montes-Grajales, D., Fennix-Agudelo, M., & Miranda-Castro, W. (2017). Occurrence of personal care products as emerging chemicals of concern in water resources: A review. Science of the Total Environment, 595, 601-614.

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